[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

C14H21N5 — CID 117140734

IUPAC[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESCN1CCC(Cc2nnc3cccc(CN)n23)CC1
InChIInChI=1S/C14H21N5/c1-18-7-5-11(6-8-18)9-14-17-16-13-4-2-3-12(10-15)19(13)14/h2-4,11H,5-10,15H2,1H3
InChIKeyIBAARLYTQFWMFM-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.07
Rot. Bonds3

About [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (PubChem CID 117140734) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.

Molecular Properties

Compound Name[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
PubChem CID117140734
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
SMILESCN1CCC(Cc2nnc3cccc(CN)n23)CC1
InChIInChI=1S/C14H21N5/c1-18-7-5-11(6-8-18)9-14-17-16-13-4-2-3-12(10-15)19(13)14/h2-4,11H,5-10,15H2,1H3
InChIKeyIBAARLYTQFWMFM-UHFFFAOYSA-N
XLogP1.07
TPSA59.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The IUPAC name of [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (CID 117140734) is [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.
What is the SMILES notation for [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The canonical SMILES for [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is CN1CCC(Cc2nnc3cccc(CN)n23)CC1.
What is the InChIKey of [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
The InChIKey is IBAARLYTQFWMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-18-7-5-11(6-8-18)9-14-17-16-13-4-2-3-12(10-15)19(13)14/h2-4,11H,5-10,15H2,1H3.
What are the key properties of [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?
[3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine has a molecular weight of 259.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylpiperidin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117140734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).